4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol

C11H10N4O3S — CID 135422608

IUPAC4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol
SMILESCc1csc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-19-11(13-7)14-12-5-8-2-3-10(16)9(4-8)15(17)18/h2-6,16H,1H3,(H,13,14)/b12-5+
InChIKeyVZFBGCIVJNIEEI-LFYBBSHMSA-N
MW278.29 g/mol
LogP2.51
Rot. Bonds4

About 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol

4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol (PubChem CID 135422608) has the molecular formula C11H10N4O3S and a molecular weight of 278.29 g/mol. Its IUPAC name is 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol
PubChem CID135422608
Molecular FormulaC11H10N4O3S
Molecular Weight278.29 g/mol
Exact Mass278.05
IUPAC Name4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol
SMILESCc1csc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H10N4O3S/c1-7-6-19-11(13-7)14-12-5-8-2-3-10(16)9(4-8)15(17)18/h2-6,16H,1H3,(H,13,14)/b12-5+
InChIKeyVZFBGCIVJNIEEI-LFYBBSHMSA-N
XLogP2.51
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol?
The IUPAC name of 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol (CID 135422608) is 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol?
The canonical SMILES for 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol is Cc1csc(N/N=C/c2ccc(O)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol?
The InChIKey is VZFBGCIVJNIEEI-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H10N4O3S/c1-7-6-19-11(13-7)14-12-5-8-2-3-10(16)9(4-8)15(17)18/h2-6,16H,1H3,(H,13,14)/b12-5+.
What are the key properties of 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol?
4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol has a molecular weight of 278.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-nitrophenol is sourced from PubChem (CID 135422608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).